0 B10R0.71 C(CCCCC)CCCCCl T21123 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.71 C(CCCCC)CCCCO T21101 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.71 C(CCCCC)CCCCO T30679 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 CCCCCCCCCC#N T21184 [0,0,0,0,0,0|1,0,1]=2 5 B10R0.71 CCCCCCCCCC=O T8086 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.71 CCCCCCCCCCBr T31355 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.71 CCCCCCCCCCC TN2458 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.71 CCCCCCCCCCCl T30897 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.71 CCCCCCCCCCF T21116 [0,0,0,0,0,0|1,0,1]=2 10 B10R0.71 CCCCCCCCCCI T21125 [0,0,0,0,0,0|1,0,1]=2 11 B10R0.71 CCCCCCCCCCO T31347 [0,0,0,0,0,0|0,0,2]=2 12 B10R0.71 CCCCCSCCCCC T20315 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.71 OCCCCCCCCC#C T17346 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 C=CCCCCCCCC T21040 [1,0,0,0,0,0|0,0,1]=2 15 B9R0.45 CCCC/C=C\CCCC T31276 [1,0,0,0,0,0|0,0,3]=4 16 B9R0.45 CCCCCCCCCO TN6912 [1,0,0,0,0,0|0,0,1]=2 17 B9R0.45 NCCCCNCCCN T4893 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 NCCCCNCCCN T5080 [1,0,0,0,0,0|3,0,0]=4 19 B11R0.3 BrCCCCCCCCCCBr T21133 [0,1,0,0,0,0|1,0,1]=3 20 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.3 CCCCCC/C=C/CCC=O T29255 [0,1,0,0,0,0|0,0,1]=2 22 B11R0.3 CCCCCCCCCCC=O TN6898 [0,1,0,0,0,0|0,0,0]=1 23 B11R0.3 CCCCCCCCCCCC TN6897 [0,1,0,0,0,0|1,0,1]=3 24 B11R0.3 CCCCCCCCCCCO T7480 [0,1,0,0,0,0|0,0,2]=3 25 B11R0.3 CCCCCCCCCCOC T31321 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.3 COCCOCCOCCC=O T15850 [0,1,0,0,0,0|2,0,0]=3 27 B11R0.3 FCCCCCCCCCCBr T31319 [0,1,0,0,0,0|1,0,1]=3 28 B11R0.3 FCCCCCCCCCCCl T31320 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.3 FCCCCCCCCCCF T31317 [0,1,0,0,0,0|1,0,1]=3 30 B11R0.3 ICCCCCCCCCCI T21134 [0,1,0,0,0,0|1,0,1]=3 31 B11R0.3 N#CCCCCCCCCC#N T21149 [0,1,0,0,0,0|1,0,2]=4 32 B11R0.3 OCCCCCCCCCC=C T22216 [0,1,0,0,0,0|1,0,0]=2 33 B11R0.3 OCCCCCCCCCCF T31348 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.3 OCCCCCCCCCCO T21096 [0,1,0,0,0,0|0,0,2]=3 35 B11R0.3 SCCCCCCCCCCS T21143 [0,1,0,0,0,0|0,1,1]=3 36 B11R0.40 CCCCCCCCC(=C)C=O T31306 [0,1,0,0,0,0|0,0,1]=2 37 B11R0.40 CCCCCCCCC(=O)C=O T31307 [0,1,0,0,0,0|0,0,1]=2 38 B11R0.40 CCCCCCCCC(=O)OC TN6918 [0,1,0,0,0,0|2,0,1]=4 39 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,1,0,0,0,0|1,0,1]=3 40 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [0,1,0,0,0,0|0,0,0]=1 41 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [0,1,0,0,0,0|0,0,2]=3 42 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [0,1,0,0,0,0|0,0,0]=1 43 B11R0.81 CCCCCCC(=O)/C=C/C=O T31275 [0,1,0,0,0,0|0,0,3]=4 44 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,1,0,0,0,0|1,0,0]=2 45 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,1,0,0,0,0|0,0,2]=3 46 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,1,0,0,0,0|0,0,2]=3 47 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,1,0,0,0,0|0,0,0]=1 48 B11R0.148 CCCCCCCCCC(C)O T22221 [0,1,0,0,0,0|0,0,2]=3 49 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,1,0,0,0,0|0,0,0]=1 50 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,1,0,0,0,0|0,0,0]=1 51 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,1,0,0,0,0|0,0,0]=1 52 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,1,0,0,0,0|0,0,0]=1 53 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,1,0,0,0,0|0,0,0]=1 54 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,1,0,0,0,0|0,0,0]=1 55 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,1,0,0,0,0|0,0,0]=1 56 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,1,0,0,0,0|0,0,0]=1 57 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,1,0,0,0,0|0,0,0]=1 58 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,1,0,0,0,0|0,0,0]=1 59 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,1,0,0,0,0|0,0,0]=1 60 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,1,0,0,0,0|0,0,0]=1 61 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,1,0,0,0,0|0,0,0]=1 62 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,1,0,0,0,0|0,0,0]=1 63 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,1,0,0,0,0|1,0,0]=2 64 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,1,0,0,0,0|0,0,2]=3 65 B11R0.148 NCCCCCCCNC(N)=N T11372 [0,1,0,0,0,0|3,0,0]=4 66 B11R0.148 NCCOCCOCCC(O)=O T14228 [0,1,0,0,0,0|3,0,0]=4 67 B11R0.148 OC(=O)CCOCCOCCBr T14789 [0,1,0,0,0,0|3,0,0]=4 68 B11R0.148 OCCOCCOCCC(O)=O T15515 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.28 NCCCNC1CCCCC1 T35878 [0,0,0,1,0,0|2,0,1]=4 70 B8R0.4 NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.1 CCCCCCC(Cl)CCC T29433 [1,1,0,0,0,0|0,0,1]=3 72 B10R0.1 CCCCCC[C@H](C)CCC T31329 [1,1,0,0,0,0|0,0,1]=3 73 B10R0.1 CCCCCC[C@H](O)CCC T21104 [1,1,0,0,0,0|0,0,1]=3 74 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,1,0,0,0,0|0,0,1]=3 75 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,1,0,0,0,0|0,0,2]=4 76 B10R0.4 CCCCCCCCC(C)C T31326 [1,1,0,0,0,0|0,0,1]=3 77 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,1,0,0,0,0|0,0,1]=3 79 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|0,0,1]=3 80 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,1,0,0,0,0|1,0,0]=3 81 B10R0.4 NCCCCCCCC(O)=O T8102 [1,1,0,0,0,0|1,0,0]=3 82 B10R0.74 CCCCCCC[C@@H](C)CC T31327 [1,1,0,0,0,0|0,0,1]=3 83 B10R0.91 CCCCCC(=O)CCCC T29451 [1,1,0,0,0,0|0,0,2]=4 84 B10R0.91 CCCCCC(O)/C=C/C=O T10148 [1,1,0,0,0,0|0,0,2]=4 85 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|0,0,1]=3 86 B10R0.91 CCCCC[C@H](O)CCCC T31301 [1,1,0,0,0,0|0,0,1]=3 87 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [0,2,0,0,0,0|0,0,0]=2 88 B12R0.5 CCCCCCCCCCCCO T9514 [0,2,0,0,0,0|0,0,2]=4 89 B12R0.5 CCCCCCCCCCN=C=S T21135 [0,2,0,0,0,0|0,1,1]=4 90 B12R0.5 CCCCCCCCCCOC=C T31314 [0,2,0,0,0,0|1,0,0]=3 91 B12R0.5 CCCCCCCCCCSC#N T31356 [0,2,0,0,0,0|0,1,1]=4 92 B12R0.234 CC(=O)NCCCCNCCCN T19466 [0,2,0,0,0,0|2,0,0]=4 93 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,2,0,0,0,0|0,0,1]=3 94 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,2,0,0,0,0|0,0,0]=2 95 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,2,0,0,0,0|0,0,1]=3 96 B12R0.234 CNCCOCCOCCC(O)=O T16049 [0,2,0,0,0,0|2,0,0]=4 97 B12R0.234 COCCOCCOCCC(Cl)=O T15863 [0,2,0,0,0,0|2,0,0]=4 98 B12R0.234 COCCOCCOCCC(O)=O T15845 [0,2,0,0,0,0|2,0,0]=4 99 B12R0.234 NCCOCCOCCCC(O)=O T14230 [0,2,0,0,0,0|2,0,0]=4 100 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,2,0,0,0,0|0,0,1]=3 101 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,2,0,0,0,0|0,0,2]=4 102 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,2,0,0,0,0|0,0,0]=2 103 B12R0.234 [O-]C(=O)CCCCCCCCC=C T0744 [0,2,0,0,0,0|0,0,1]=3 104 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,2,0,0,0,0|0,0,0]=2 105 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,2,0,0,0,0|0,0,0]=2 106 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,2,0,0,0,0|0,0,0]=2 107 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,2,0,0,0,0|0,0,0]=2 108 B12R0.4 CCCCCCCC(O)CC(O)=O T7565 [0,2,0,0,0,0|0,0,0]=2 109 B12R0.277 CCOC(=O)CCCCCC(O)=O T18363 [0,2,0,0,0,0|1,0,1]=4 110 B12R0.251 CCCCCCCC[C@@H](C)C(O)=O T31341 [0,2,0,0,0,0|0,0,0]=2 111 B12R0.251 CCCCCCCC[C@H](O)C(O)=O T29352 [0,2,0,0,0,0|0,0,0]=2 112 B12R0.312 CCCCCCCCS(=O)(=O)C=C T29923 [0,2,0,0,0,0|2,0,0]=4 113 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,2,0,0,0,0|0,0,1]=3 114 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,2,0,0,0,0|0,0,0]=2 115 B12R0.268 CC(=O)CCCCCCCC(O)=O T31343 [0,2,0,0,0,0|0,0,1]=3 116 B12R0.268 OC(=O)CCCCCCCC(O)=O T0926 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.28 CC/C=C\CC1CCCC(=O)O1 T32266 [0,1,0,1,0,0|0,0,2]=4 118 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,1,0,1,0,0|0,0,0]=2 119 B12R1.7 CCCC#CCC1CCC(=O)O1 TN5132 [0,1,0,1,0,0|0,0,2]=4 120 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,1,0,1,0,0|0,0,0]=2 121 B12R1.567 CCCCCC1=C(C)CCC1=O T8077 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [0,1,0,1,0,0|0,0,0]=2 123 B12R1.255 NC(=O)CCCCC1CCSS1 T0823 [0,1,0,1,0,0|2,0,0]=4 124 B12R1.255 O=C(O)CCCCC1SSCC1 T2930 [0,1,0,1,0,0|2,0,0]=4 125 B12R1.255 OC(=O)CCCCC1CCSS1 T0200 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.255 OC(=O)CCCCC1CCSS1 T15695 [0,1,0,1,0,0|2,0,0]=4 127 B12R1.255 OC(=O)CCCC[C@@H]1CCSS1 T22235 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.1081 OC1CCCC2CCCCC12 T31290 [0,0,0,2,0,0|0,0,2]=4